SCHEMBL8979741

SCHEMBL8979741

CCCCc1nc(C)nc(OCc2sccc2C(=O)OC)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.43
AGTR2 P50052 2/20 0.43
ACHE P22303 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
BDKRB1 P46663 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8979840 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8979896 0.89
SCHEMBL8979798 0.86 AGT (0.40) AGTR1AGTR2
SCHEMBL8979835 0.84 AGTR1 (0.43) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL8979743 0.83 AGTR1 (0.52) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL8979805 0.82 AGTR1 (0.50) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL8979876 0.80 AGTR1 (0.46) AGTR1AGTR2ACHE
SCHEMBL9268766 0.80 AGT (0.38) AGTR1AGTR2
SCHEMBL8979769 0.79 AGTR1 (0.47) AGTR1AGTR2ACHELTB4R2
SCHEMBL8979825 0.78

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed
EP-0641329-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1995-03-08 EP disclosed
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed